Hardness can be defined microscopically as the combined resistance of chemical bonds in
a material to indentation. The current review presents three most popular microscopic …

The review generalizes information on methods for modification of graphene-based carbon
materials through creation of structural defects, introduction of substitutional impurities …

We adopt a global optimization method to predict two-dimensional (2D) nanostructures
through the particle-swarm optimization (PSO) algorithm. By performing PSO simulations …

This paper explores the merits of a recently proposed 2D material, the B 4 C 3 monolayer,
for hydrogen storage by adsorption. The monolayer is decorated by Li to enhance …

Topological metals with protected band-crossing points have been attracting great interest.
Here we report topological band features in a family of metal diboride materials. Using first …

The exploitation of highly sensitive, power-efficient, robust and recoverable gas sensing
devices has become a key tool for the detection of toxic gases in the environment. In this …

To this day, the active components of integrated circuits consist mostly of (semi-) metals.
Concerns for raw material supply and pricing aside, the overreliance on (semi-) metals in …

Do** of different elements in intrinsic graphene is of great importance to adjust the
electrical and chemical properties for realization of different electronic devices. Here, we …

In this article, we investigate the predictions of the first principles on structural stability,
electronic and mechanical properties of 2D nanostructures: graphene, silicene, germanene …

Since the discovery of superconductivity in boron-doped diamond with a critical temperature
(TC) near 4 K, great interest has been attracted in hard superconductors such as transition …